Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | CTSG | P08311 | 1/20 | 0.41 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.41 |
| ▸ | CMA1 | P23946 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 3/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5084405 | 1.00 | ALDH1A1 (0.44) | ALDH1A1SLC1A5TDP1KMT2AMAPK1 | |
| SCHEMBL28374594 | 0.98 | ALDH1A1 (0.42) | ALDH1A1SLC1A5TDP1KMT2AMAPK1 | |
| Hydrochloric Acid SCHEMBL31375791 | 0.98 | ALDH1A1 (0.42) | ALDH1A1SLC1A5TDP1KMT2AMAPK1 | |
| SCHEMBL10390365 | 0.94 | ALDH1A1 (0.41) | ALDH1A1SLC1A5TDP1KMT2AMAPK1 | |
| SCHEMBL27551719 | 0.94 | ALDH1A1 (0.41) | ALDH1A1SLC1A5TDP1KMT2AMAPK1 | |
| SCHEMBL28170754 | 0.91 | ALDH1A1 (0.41) | ALDH1A1SLC1A5TDP1KMT2AMAPK1 | |
| SCHEMBL1997087 | 0.89 | SLC1A5 (0.48) | ALDH1A1SLC1A5KMT2APRSS1CTSG | |
| SCHEMBL1997086 | 0.89 | ALDH1A1 (0.45) | ALDH1A1SLC1A5TDP1KMT2AMAPK1 | |
| SCHEMBL9925277 | 0.89 | SLC1A5 (0.48) | ALDH1A1SLC1A5KMT2APRSS1CTSG | |
| SCHEMBL5078447 | 0.86 | LMNA (0.46) | ALDH1A1SLC1A5KMT2ASLC6A3PRSS1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107442038-B | Ultraviolet response amino acid surfactant and preparation method thereof | 广州天赐高新材料股份有限公司 | 2019-08-09 | — | — | CN | claimed |
| CN-109553619-A | A kind of preparation method of methotrexate (MTX) | 北京斯利安药业有限公司 | 2019-04-02 | — | — | CN | claimed |
| CN-107442038-A | Ultraviolet response amino acid surfactant and preparation method thereof | 广州天赐高新材料股份有限公司 | 2017-12-08 | — | — | CN | claimed |
| US-20170223990-A1 | FOOD PRESERVATION WITH FOLATES | UNIVERSITY OF CALCUTTA (IN) | 2017-08-10 | — | — | US | claimed |
| CN-107442038-B | Ultraviolet response amino acid surfactant and preparation method thereof | 广州天赐高新材料股份有限公司 | 2019-08-09 | — | — | CN | disclosed |
| CN-109553619-A | A kind of preparation method of methotrexate (MTX) | 北京斯利安药业有限公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-107442038-A | Ultraviolet response amino acid surfactant and preparation method thereof | 广州天赐高新材料股份有限公司 | 2017-12-08 | — | — | CN | disclosed |
| US-20170223990-A1 | FOOD PRESERVATION WITH FOLATES | UNIVERSITY OF CALCUTTA (IN) | 2017-08-10 | — | — | US | disclosed |
| EP-1917027-A2 | CLEAVAGE OF ANTIFOLATE COMPOUNDS | Protherics Medicines Development Limited (GB) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007023243-A2 | CLEAVAGE OF ANTIFOLATE COMPOUNDS | PROTHERICS MEDICINES DEVELOPMENT LIMITED (GB) | 2007-03-01 | — | — | WO | disclosed |
| WO-2004113328-A1 | CONVERGENT ASYMMETRIC SYNTHESIS ROUTE TO PRODUCE A KEY INTERMEDIATE TOWARDS THE SYNTHESIS OF A GARFT INHIBITOR | PFIZER INC. (US) | 2004-12-29 | — | — | WO | disclosed |
| CN-1049215-C | Process for preparing benzoquinazoline thymidylate synthase inhibitors | WELLOCOME FOUNDATION LTD (GB) | 2000-02-09 | — | — | CN | disclosed |